methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate

C22H15F5N2O6 — CID 154984490

IUPACmethyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2c(F)cc(F)cc2Oc2ccc(OC(F)(F)F)cc2OC)cn1
InChIInChI=1S/C22H15F5N2O6/c1-32-17-9-13(35-22(25,26)27)4-6-16(17)34-18-8-11(23)7-14(24)19(18)20(30)29-12-3-5-15(28-10-12)21(31)33-2/h3-10H,1-2H3,(H,29,30)
InChIKeyWSKKKJKYZGUONS-UHFFFAOYSA-N
MW498.36 g/mol
LogP5.10
Rot. Bonds7

About methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate

methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate (PubChem CID 154984490) has the molecular formula C22H15F5N2O6 and a molecular weight of 498.36 g/mol. Its IUPAC name is methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
PubChem CID154984490
Molecular FormulaC22H15F5N2O6
Molecular Weight498.36 g/mol
Exact Mass498.09
IUPAC Namemethyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2c(F)cc(F)cc2Oc2ccc(OC(F)(F)F)cc2OC)cn1
InChIInChI=1S/C22H15F5N2O6/c1-32-17-9-13(35-22(25,26)27)4-6-16(17)34-18-8-11(23)7-14(24)19(18)20(30)29-12-3-5-15(28-10-12)21(31)33-2/h3-10H,1-2H3,(H,29,30)
InChIKeyWSKKKJKYZGUONS-UHFFFAOYSA-N
XLogP5.10
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406441
N-(6-carbamoyl-3-pyridinyl)-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406715
2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 154645121
N-(6-carbamoyl-3-pyridinyl)-3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137406324
5-aminopyridine-2-carboxamide;5-[[2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide;2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl chloride
CID 159418736
methyl 5-[[2-(2,4-dimethoxyphenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 90315046
4-[[4-chloro-2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]-5-methylpyridine-2-carboxamide
CID 137406813
4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxamide;methyl 4-[[3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
CID 161475679
4-chloro-2-fluoro-N-[2-(methoxymethyl)-4-pyridinyl]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 137418756
N-(3-carbamoyl-4-fluorophenyl)-2-cyclopropyl-3-fluoro-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxamide
CID 137406862
methyl 3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-4-carboxylate
CID 137406864
methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carbonyl]amino]pyridine-2-carboxylate
CID 137410960

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate (CID 154984490) is methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)c2c(F)cc(F)cc2Oc2ccc(OC(F)(F)F)cc2OC)cn1.
What is the InChIKey of methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate?
The InChIKey is WSKKKJKYZGUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O6/c1-32-17-9-13(35-22(25,26)27)4-6-16(17)34-18-8-11(23)7-14(24)19(18)20(30)29-12-3-5-15(28-10-12)21(31)33-2/h3-10H,1-2H3,(H,29,30).
What are the key properties of methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate?
methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate has a molecular weight of 498.36 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 154984490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).